Chemical ID: 4122663

c1cc(c(cc1Cl)CN)F
Chemical ID:
4122663
Name [?]:
(5-chloro-2-fluoro-phenyl)methanamine
SMILES [?]:
c1cc(c(cc1Cl)CN)F
InChi [?]:
InChI=1/C7H7ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChi Info:
AuxInfo=1/0/N:1,2,5,8,4,6,3,7,10,9/rA:10nCCCCCCClCNF/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7ClFN
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.65343
Area:303.905
Solvation:-1.9442
Coulombic:-16.7924
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:159.588
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.93
LogP (Chemaxon):1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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